6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine

C19H12F4N4O — CID 155399998

IUPAC6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESFc1cncc(Cn2ncc3ncc(-c4ccc(F)c(OC(F)F)c4)cc32)c1
InChIInChI=1S/C19H12F4N4O/c20-14-3-11(6-24-8-14)10-27-17-4-13(7-25-16(17)9-26-27)12-1-2-15(21)18(5-12)28-19(22)23/h1-9,19H,10H2
InChIKeyPACAOBGJGOLPHV-UHFFFAOYSA-N
MW388.32 g/mol
LogP4.42
Rot. Bonds5

About 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine

6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155399998) has the molecular formula C19H12F4N4O and a molecular weight of 388.32 g/mol. Its IUPAC name is 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155399998
Molecular FormulaC19H12F4N4O
Molecular Weight388.32 g/mol
Exact Mass388.09
IUPAC Name6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESFc1cncc(Cn2ncc3ncc(-c4ccc(F)c(OC(F)F)c4)cc32)c1
InChIInChI=1S/C19H12F4N4O/c20-14-3-11(6-24-8-14)10-27-17-4-13(7-25-16(17)9-26-27)12-1-2-15(21)18(5-12)28-19(22)23/h1-9,19H,10H2
InChIKeyPACAOBGJGOLPHV-UHFFFAOYSA-N
XLogP4.42
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (CID 155399998) is 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is Fc1cncc(Cn2ncc3ncc(-c4ccc(F)c(OC(F)F)c4)cc32)c1.
What is the InChIKey of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is PACAOBGJGOLPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N4O/c20-14-3-11(6-24-8-14)10-27-17-4-13(7-25-16(17)9-26-27)12-1-2-15(21)18(5-12)28-19(22)23/h1-9,19H,10H2.
What are the key properties of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 388.32 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155399998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).